VB0
Summary
| Name: | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine |
| Formula: | C15 H13 F N4 |
| Formal charge: | 0 |
| Formula weight: | 268.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2-cyclopropylethynyl)-6-(2-fluorophenyl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H13FN4/c16-12-4-2-1-3-10(12)13-11(8-7-9-5-6-9)14(17)20-15(18)19-13/h1-4,9H,5-6H2,(H4,17,18,19,20) |
| InChIKey | InChI | 1.06 | GKZUWPJVDMAAMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c(C#CC2CC2)c(n1)c3ccccc3F |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c(C#CC2CC2)c(n1)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2c(c(nc(n2)N)N)C#CC3CC3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2c(c(nc(n2)N)N)C#CC3CC3)F |
